HRID824084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

反应SMILES：CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc2ncn(C)c12

HCID58290880

未命名化合物

反应SMILES：Cc1cc(N)c(OC(C)C)cc1C1CCN(C)CC1

HCID59764370

5-Methyl-2-(1-methylethoxy)-4-(1-methyl-4-piperidinyl)benzenamine

C16H26N2O

PRODUCTS

产物

反应SMILES：Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(ncn3C)n2)c(OC(C)C)cc1C1CCN(C)CC1

HCID58290896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5cdc92a33e5b4c4a8db51b9b244d6b2c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH3:44][c:45]1[cH:46][cH:47][c:48]([S:49](=[O:50])(=[O:51])[OH:52])[cH:53][cH:54]1.[CH:25]([CH3:26])([CH3:27])[O:28][c:29]1[c:30]([NH2:31])[cH:32][c:33]([CH3:43])[c:34]([CH:36]2[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]2)[cH:35]1.[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]2)[c:5]2[n:6]([CH3:11])[cH:7][n:8][c:9]2[n:10]1>>[c:2]1([NH:31][c:30]2[c:29]([O:28][CH:25]([CH3:26])[CH3:27])[cH:35][c:34]([CH:36]3[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]3)[c:33]([CH3:43])[cH:32]2)[n:3][c:4]([NH:12][c:13]2[c:14]([S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]2)[c:5]2[n:6]([CH3:11])[cH:7][n:8][c:9]2[n:10]1